2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine

C14H15N5 — CID 116892604

IUPAC2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCc1cc(-c2ccc3nc[nH]c3c2)nc(CCN)n1
InChIInChI=1S/C14H15N5/c1-9-6-12(19-14(18-9)4-5-15)10-2-3-11-13(7-10)17-8-16-11/h2-3,6-8H,4-5,15H2,1H3,(H,16,17)
InChIKeyDMKPMIYPVDRFCF-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.83
Rot. Bonds3

About 2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine

2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine (PubChem CID 116892604) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
PubChem CID116892604
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCc1cc(-c2ccc3nc[nH]c3c2)nc(CCN)n1
InChIInChI=1S/C14H15N5/c1-9-6-12(19-14(18-9)4-5-15)10-2-3-11-13(7-10)17-8-16-11/h2-3,6-8H,4-5,15H2,1H3,(H,16,17)
InChIKeyDMKPMIYPVDRFCF-UHFFFAOYSA-N
XLogP1.83
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole
CID 116897384
2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
CID 82484222
2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 95464263
6-[2-(2-chloroethyl)pyrimidin-4-yl]-1H-benzimidazole
CID 116899357
2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 96669293
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897787
2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine
CID 82385621
3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892896
4-(3H-benzimidazol-5-yl)-6-methyl-1H-pyrimidine-2-thione
CID 116894712
5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116892348
3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine
CID 116898218
N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973259

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine (CID 116892604) is 2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine is Cc1cc(-c2ccc3nc[nH]c3c2)nc(CCN)n1.
What is the InChIKey of 2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine?
The InChIKey is DMKPMIYPVDRFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-6-12(19-14(18-9)4-5-15)10-2-3-11-13(7-10)17-8-16-11/h2-3,6-8H,4-5,15H2,1H3,(H,16,17).
What are the key properties of 2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine?
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116892604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).